4-[[(3-bromophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(3-bromophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(3-bromophenyl)methylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(3-bromophenyl)methylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(3-bromophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(3-bromobenzyl)amino]methyl]cyclohexanecarboxylic acid Formula: C15H20BrNO2 MolecularWeight: 326.2288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNCC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

C1CC(CCC1CNCC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C15H20BrNO2/c16-14-3-1-2-12(8-14)10-17-9-11-4-6-13(7-5-11)15(18)19/h1-3,8,11,13,17H,4-7,9-10H2,(H,18,19)